12 Questions 23 Answers 0 Followers
Questions related from Julio Cesar Gonzalez
Hello colleagues! I found that my structure is not stable at the ground state, id. 0 Kelvin ( the crystal structure change before and after relaxation, but the energy is still negative) Thus I...
19 February 2023 8,165 7 View
Hi dear colleagues! I need to execute the CASTEP module of material studio software in a cluster. I really know that I need to prepare a slurm script to submit my CASTEP job (elastic constants) in...
15 February 2023 5,861 1 View
Hello dear colleagues! I am interested to know how to put atoms at the interstitial position of the cubic bcc structure, Does anybody have or know a python or package or script which can generate...
02 February 2023 9,299 2 View
Dear colleagues, I am currently working on the DFT of the transition from hexagonal to bcc and would like to find some references or guidelines about the VC-NEB methodology. I will appreciate your...
30 August 2022 1,199 0 View
Dear colleagues, I have been recently reading about the twinning system in titanium beta alloys and I learned that either {332} or {112} systems have 12 variants. Does anyone...
10 May 2021 8,866 2 View
I am studying the field of impact properties of materials. However, I am confused with the difference between the R-curves (I know this is nothing but the resistance to fracture versus crack...
14 July 2020 3,546 0 View
Hi dear colleagues! I am so eager to know about how to characterize precipitates by XRD (specifically cementite, MX and M23C6 ). Any suggestions will be welcomed. :)
01 January 1970 8,816 3 View
Dear Colleagues. I have been reading the book: "Crystallographic Texture of Materials-Springer-Verlag London (2014)" to get familiar with EBSD data. However, I still cannot find the connection...
01 January 1970 8,737 5 View
Dear colleagues, I am working currently with hydrogen embrittlement and I am a little confused about the unit wt. ppm (weight ppm) found in many references and ppm. Is there any difference? I...
01 January 1970 6,780 3 View
Dear colleagues, I have this concern. how can we determine Twins and Stacking fault on TEM pictures? Thanks in advance.
01 January 1970 7,507 5 View
Dear colleagues. I am currently searching for any reference or literature about the quantification of the omega phase (hexagonal) in titanium alloys. I am studying a possible case of...
01 January 1970 8,450 3 View
Hello dear colleagues! I want to find the best parameters o methodology to relax a bulk structure (cubic material) using the commercial DFT software called VASP at the ground state. I have been...
01 January 1970 4,092 3 View
